Crystallography Open Database

Information card for entry 7063177

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Coordinates	7063177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H40 N2 O10
Calculated formula	C18 H40 N2 O10
Title of publication	Solvent and Stoichiometry-dependent Versatile Organogelation and Robust Crystallization from Supramolecular Association of Adipic Acid and Triethanolamine
Authors of publication	Lepcha, Gerald; Pal, Indrajit; Majumdar, Santanu; Dhasmana, Yogesh; Mondal, Sanjay; Zangrando, Ennio; Chopra, Deepak; Dey, Biswajit
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	5.3882 ± 0.0002 Å
b	14.1701 ± 0.0004 Å
c	14.4214 ± 0.0004 Å
α	90°
β	95.402 ± 0.001°
γ	90°
Cell volume	1096.2 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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